Chemical Properties of Ecgonine methyl ester, trimethylsilyl ether

InChI

InChI=1S/C13H25NO3Si/c1-14-9-6-7-10(14)12(13(15)16-2)11(8-9)17-18(3,4)5/h9-12H,6-8H2,1-5H3

InChI Key

ZOZZIPWQUVUYGY-UHFFFAOYSA-N

Formula

C13H25NO3Si

SMILES

COC(=O)C1C(O[Si](C)(C)C)CC2CCC1N2C

Molecular Weight¹

271.43

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4999		Relay (... Calculated Property
ΔfG°	-178.33	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-684.88	kJ/mol	Relay (... Calculated Property
ΔvapH°	80.39	kJ/mol	Relay (... Calculated Property
IE	8.38	eV	Relay (... Calculated Property
log10WS	-0.94		Relay (... Calculated Property
logPoct/wat	1.862		Crippen Calculated Property
Pc	1451.98	kPa	Relay (... Calculated Property ⚠️
Inp	[1575.70; 1575.70]
Inp	1575.70		NIST
Inp	1575.70		NIST
Tboil	536.58	K	Relay (... Calculated Property
Tc	770.09	K	Relay (... Calculated Property
Tfus	351.81	K	Relay (... Calculated Property
Vc	0.813	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ecgonine methyl ester, trimethylsilyl ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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